Geometry & MOs

Info

ID:	65429
PubChem CID:	29214941
Reduced:	SO3N7C24H25 (1)
Stoich.:	AB3C7D24E25 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	50.19
Dipole, Da:	8.17
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]thiourea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CNC(=O)CSC2=NN=C(N2N)N/N=C\C3=CC=CC4=CC=CC=C43)OC

DOS

IR

Vibrations